Dynamic and Static Properties of Aqueous NaCl Solutions at 25°C as a Function of NaCl Concentration: A Molecular Dynamics Simulation Study
We present the result of molecular dynamics (MD) simulations to calculate the molar conductivity Λm= λNa++ λCl− of NaCl in SPC/E water at 25°C as a function of NaCl concentration (c) using Ewald sums employing a velocity Verlet algorithm. It is found that the MD result for Λm with Ewald sum paramete...
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| Format: | Article |
| Language: | English |
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Hindawi Limited
2020-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2020/6661196 |